Hello again
I have deleted the following option of charge extrapolation because with it
the convergence was worst
clmextrapol_lapw
if (-e NiS-afmI-optV_U0-ec00001.clmup && ! -z
NiS-afmI-optV_U0-ec00001.clmup) then
clmextrapol_lapw -up
clmextrapol_lapw -dn
endif
Best regards
--
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Adresse: BP 144 AL ATTAF AIN DEFLA
Tel: +213(0)561861963
Algerie
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